[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H21BrN2O3 MolecularWeight: 429.30704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrN2O3/c22-18-6-4-5-17(15-18)9-10-21(26)27-16-20(25)24-13-11-23(12-14-24)19-7-2-1-3-8-19/h1-10,15H,11-14,16H2/b10-9+